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5401-94-5

5401-94-5 structure
5401-94-5 structure
  • Name: 5-Nitro-1H-indazole
  • Chemical Name: 5-Nitroindazole
  • CAS Number: 5401-94-5
  • Molecular Formula: C7H5N3O2
  • Molecular Weight: 163.133
  • Create Date: 2018-09-08 08:33:08
  • Modify Date: 2024-01-02 14:28:35
Name 5-Nitroindazole
Synonyms 1H-Indazole, 5-nitro-
5-Nitro-1H-indazole
EINECS 226-451-5
MFCD00674078
Density 1.5±0.1 g/cm3
Boiling Point 383.3±15.0 °C at 760 mmHg
Melting Point 207 °C
Molecular Formula C7H5N3O2
Molecular Weight 163.133
Flash Point 185.6±20.4 °C
Exact Mass 163.038177
PSA 74.50000
LogP 2.03
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.741

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK7962000
CHEMICAL NAME :
1H-Indazole, 5-nitro-
CAS REGISTRY NUMBER :
5401-94-5
BEILSTEIN REFERENCE NO. :
0007936
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H5-N3-O2
MOLECULAR WEIGHT :
163.15
WISWESSER LINE NOTATION :
T56 BMNJ GNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 58,11,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2519 No. of Facilities: 281 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 6639 (estimated) No. of Female Employees: 3663 (estimated)
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36;R68
Safety Phrases S26-S36/37/39
WGK Germany 2
RTECS NK7962000
HS Code 2933990090
99-52-5 structure

99-52-5

~92%

5401-94-5 structure

5401-94-5
Literature: Kym, Philip R.; Souers, Andrew J.; Campbell, Thomas J.; Lynch, John K.; Judd, Andrew S.; Iyengar, Rajesh; Vasudevan, Anil; Gao, Ju; Freeman, Jennifer C.; Wodka, Dariusz; Mulhern, Mathew; Zhao, Gang; Wagaw, Seble H.; Napier, James J.; Brodjian, Sevan; Dayton, Brian D.; Reilly, Regina M.; Segreti, Jason A.; Fryer, Ryan M.; Preusser, Lee C.; Reinhart, Glenn A.; Hernandez, Lisa; Marsh, Kennan C.; Sham, Hing L.; Collins, Christine A.; Polakowski, James S. Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2339 - 2352
129488-09-1 structure

129488-09-1

~96%

5401-94-5 structure

5401-94-5
Literature: Dandepally, Srinivasa Reddy; Williams, Alfred L. Tetrahedron Letters, 2009 , vol. 50, # 9 p. 1071 - 1074
27996-87-8 structure

27996-87-8

~70%

5401-94-5 structure

5401-94-5
Literature: Wheeler, Rob C.; Baxter, Emma; Campbell, Ian B.; MacDonald, Simon J. F. Organic Process Research and Development, 2011 , vol. 15, # 3 p. 565 - 569
97-51-8 structure

97-51-8

~85%

5401-94-5 structure

5401-94-5
Literature: Lokhande; Raheem, Abdul; Sabale; Chabukswar; Jagdale Tetrahedron Letters, 2007 , vol. 48, # 39 p. 6890 - 6892
271-44-3 structure

271-44-3

~%

5401-94-5 structure

5401-94-5
Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 118, p. 74,90
271-44-3 structure

271-44-3
7697-37-2 structure

7697-37-2

~%

5401-94-5 structure

5401-94-5
Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 118, p. 74,90
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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